1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine

C15H26N2O — CID 116945772

IUPAC1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(C(N)C(CN)C(C)C)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-9(2)13(8-16)15(17)12-6-7-14(18-5)11(4)10(12)3/h6-7,9,13,15H,8,16-17H2,1-5H3
InChIKeyVIOIPYFDKNSVNA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.54
Rot. Bonds5

About 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine

1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116945772) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID116945772
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCOc1ccc(C(N)C(CN)C(C)C)c(C)c1C
InChIInChI=1S/C15H26N2O/c1-9(2)13(8-16)15(17)12-6-7-14(18-5)11(4)10(12)3/h6-7,9,13,15H,8,16-17H2,1-5H3
InChIKeyVIOIPYFDKNSVNA-UHFFFAOYSA-N
XLogP2.54
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)butan-1-amine
CID 82492421
2-[fluoro-(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
CID 107443810
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
2-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylbutan-1-amine
CID 116931100
1-(4-methoxy-2,3-dimethylphenyl)-N,N-dimethylethanamine
CID 116914636
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
N'-ethyl-1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diamine
CID 116934913
3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
CID 112517349

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine (CID 116945772) is 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine is COc1ccc(C(N)C(CN)C(C)C)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VIOIPYFDKNSVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9(2)13(8-16)15(17)12-6-7-14(18-5)11(4)10(12)3/h6-7,9,13,15H,8,16-17H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine?
1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3-dimethylphenyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116945772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).